REMARK Name = BDB015150 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -2.198 -0.864 0.193 0.00 0.00 -0.014 A ATOM 2 C LIG 1 -0.924 -0.275 0.321 0.00 0.00 +0.054 A ATOM 3 C LIG 1 0.185 -1.033 0.706 0.00 0.00 +0.121 A ATOM 4 C LIG 1 0.025 -2.394 0.968 0.00 0.00 +0.045 A ATOM 5 C LIG 1 -1.226 -2.996 0.850 0.00 0.00 +0.004 A ATOM 6 C LIG 1 -2.329 -2.235 0.465 0.00 0.00 +0.009 A ENDROOT BRANCH 1 9 ATOM 7 C LIG 1 -5.628 0.742 0.178 0.00 0.00 +0.037 A ATOM 8 C LIG 1 -4.520 -0.014 0.578 0.00 0.00 +0.021 A ATOM 9 C LIG 1 -3.362 -0.061 -0.215 0.00 0.00 -0.017 A ATOM 10 C LIG 1 -3.346 0.682 -1.409 0.00 0.00 +0.008 A ATOM 11 C LIG 1 -4.444 1.458 -1.796 0.00 0.00 +0.001 A ATOM 12 C LIG 1 -5.585 1.494 -0.999 0.00 0.00 +0.013 A BRANCH 7 14 ATOM 13 O LIG 1 -6.665 1.083 2.235 0.00 0.00 -0.270 OA ATOM 14 C LIG 1 -6.818 0.774 1.056 0.00 0.00 +0.247 C ATOM 15 N LIG 1 -8.044 0.436 0.515 0.00 0.00 -0.298 N ATOM 16 C LIG 1 -8.297 -0.197 -0.773 0.00 0.00 +0.108 C ATOM 17 C LIG 1 -9.677 -0.825 -0.621 0.00 0.00 +0.020 C ATOM 18 C LIG 1 -10.364 0.097 0.379 0.00 0.00 +0.020 C ATOM 19 C LIG 1 -9.238 0.441 1.341 0.00 0.00 +0.108 C ENDBRANCH 7 14 ENDBRANCH 1 9 BRANCH 3 20 ATOM 20 O LIG 1 1.462 -0.571 0.863 0.00 0.00 -0.489 OA BRANCH 20 21 ATOM 21 C LIG 1 1.696 0.810 0.600 0.00 0.00 +0.261 C BRANCH 21 22 ATOM 22 C LIG 1 3.183 1.144 0.816 0.00 0.00 +0.166 C BRANCH 22 23 ATOM 23 O LIG 1 3.343 2.559 0.627 0.00 0.00 -0.387 OA ATOM 24 H LIG 1 3.338 2.737 -0.328 0.00 0.00 +0.210 HD ENDBRANCH 22 23 BRANCH 22 25 ATOM 25 C LIG 1 4.094 0.338 -0.149 0.00 0.00 +0.119 C BRANCH 25 26 ATOM 26 N LIG 1 5.524 0.262 0.229 0.00 0.00 -0.295 NA ATOM 27 C LIG 1 6.229 -0.634 -0.714 0.00 0.00 +0.120 C ATOM 28 C LIG 1 7.729 -0.689 -0.522 0.00 0.00 -0.030 A ATOM 29 C LIG 1 8.406 0.327 0.170 0.00 0.00 -0.042 A ATOM 30 C LIG 1 9.800 0.270 0.306 0.00 0.00 +0.004 A ATOM 31 C LIG 1 10.521 -0.777 -0.267 0.00 0.00 +0.000 A ATOM 32 C LIG 1 9.856 -1.777 -0.971 0.00 0.00 +0.000 A ATOM 33 C LIG 1 7.625 1.435 0.824 0.00 0.00 +0.051 C ATOM 34 C LIG 1 8.467 -1.733 -1.101 0.00 0.00 +0.005 A ATOM 35 C LIG 1 6.196 1.567 0.275 0.00 0.00 +0.089 C ENDBRANCH 25 26 ENDBRANCH 22 25 ENDBRANCH 21 22 ENDBRANCH 20 21 ENDBRANCH 3 20 TORSDOF 8